Neural emulators and inVAErt networks enable fast forward modeling of stiff chemical kinetics and recovery of non-identifiable reaction-rate manifolds from species concentrations.
Efficient machine learning based surrogate models for surface kinetics by approximating the rates of the rate-determining steps.Chemical Engineering Science, 262:117964
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Model synthesis and identifiability analysis of stiff chemical reaction systems with inVAErt networks
Neural emulators and inVAErt networks enable fast forward modeling of stiff chemical kinetics and recovery of non-identifiable reaction-rate manifolds from species concentrations.